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{
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"spacegroup": 14
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{
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"structure_string": "La8 H24 O24\n1.0\n6.774342 0.000000 0.000000\n0.000000 10.866017 0.000000\n0.000000 10.127618 11.537775\nLa H O\n8 24 24\ndirect\n0.465639 0.168848 0.832275 La\n0.471638 0.665076 0.833459 La\n0.971638 0.334924 0.666541 La\n0.965639 0.831152 0.667725 La\n0.034361 0.168848 0.332275 La\n0.028362 0.665076 0.333459 La\n0.528362 0.334924 0.166541 La\n0.534361 0.831152 0.167725 La\n0.638842 0.701237 0.998485 H\n0.786806 0.919861 0.967631 H\n0.847617 0.231300 0.898958 H\n0.075286 0.701828 0.904506 H\n0.777830 0.492853 0.800764 H\n0.149490 0.983713 0.818917 H\n0.277830 0.507147 0.699236 H\n0.649490 0.016287 0.681083 H\n0.347617 0.768700 0.601042 H\n0.575286 0.298172 0.595494 H\n0.861158 0.701237 0.498485 H\n0.286806 0.080139 0.532369 H\n0.713194 0.919861 0.467631 H\n0.138842 0.298763 0.501515 H\n0.424714 0.701828 0.404506 H\n0.652383 0.231300 0.398958 H\n0.350510 0.983713 0.318917 H\n0.722170 0.492853 0.300764 H\n0.850510 0.016287 0.181083 H\n0.222170 0.507147 0.199236 H\n0.924714 0.298172 0.095494 H\n0.152383 0.768700 0.101042 H\n0.213194 0.080139 0.032369 H\n0.361158 0.298763 0.001515 H\n0.382453 0.389395 0.000017 O\n0.645546 0.908978 0.983622 O\n0.781775 0.291305 0.824447 O\n0.146051 0.774198 0.830873 O\n0.769923 0.592759 0.789908 O\n0.154699 0.079805 0.812360 O\n0.269923 0.407241 0.710092 O\n0.281775 0.708695 0.675553 O\n0.654699 0.920195 0.687640 O\n0.646051 0.225802 0.669127 O\n0.882453 0.610605 0.499983 O\n0.145546 0.091022 0.516378 O\n0.854454 0.908978 0.483622 O\n0.117547 0.389395 0.500017 O\n0.353949 0.774198 0.330873 O\n0.345301 0.079805 0.312361 O\n0.718225 0.291305 0.324447 O\n0.730077 0.592759 0.289908 O\n0.845301 0.920195 0.187640 O\n0.230077 0.407241 0.210092 O\n0.853949 0.225802 0.169127 O\n0.218225 0.708695 0.175553 O\n0.354454 0.091022 0.016378 O\n0.617547 0.610605 0.999983 O\n",
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{
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"structure_string": "Y2 Ti6 Se4 Cl2 O16\n1.0\n6.915643 0.000000 0.000000\n1.043266 7.109775 0.000000\n1.041682 0.727290 10.411696\nY Ti Se Cl O\n2 6 4 2 16\ndirect\n0.242639 0.737552 0.235212 Y\n0.732281 0.240028 0.738341 Y\n0.947932 0.504111 0.054528 Ti\n0.990269 0.510050 0.503326 Ti\n0.962449 0.073490 0.009461 Ti\n0.295170 0.348703 0.823646 Ti\n0.695418 0.774822 0.285701 Ti\n0.923072 0.017692 0.461817 Ti\n0.632052 0.277449 0.121400 Se\n0.590542 0.823212 0.948503 Se\n0.616232 0.128737 0.335650 Se\n0.619826 0.790263 0.661137 Se\n0.204230 0.590040 0.657458 Cl\n0.090248 0.234155 0.178763 Cl\n0.923835 0.672547 0.178427 O\n0.546762 0.825556 0.119808 O\n0.424991 0.179288 0.719428 O\n0.170000 0.525924 0.969754 O\n0.753609 0.559249 0.648962 O\n0.813594 0.943517 0.638167 O\n0.026279 0.241933 0.878044 O\n0.156000 0.901635 0.040887 O\n0.151041 0.941462 0.385959 O\n0.758935 0.990349 0.912938 O\n0.852866 0.749994 0.427835 O\n0.927049 0.259907 0.532803 O\n0.762843 0.625414 0.938777 O\n0.160086 0.497464 0.372325 O\n0.518502 0.388016 0.878042 O\n0.511249 0.647440 0.342901 O\n",
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{
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"created_at": "2022-09-04T14:40:21.259311Z",
"structure_string": "Yb2 Cu2 Pb2 S6\n1.0\n1.910461 -6.615407 0.000000\n1.910461 6.615407 0.000000\n0.000000 0.000000 10.465967\nYb Cu Pb S\n2 2 2 6\ndirect\n0.994225 0.005775 0.496059 Yb\n0.005775 0.994225 0.996059 Yb\n0.472436 0.527564 0.247916 Cu\n0.527564 0.472436 0.747916 Cu\n0.756931 0.243069 0.237832 Pb\n0.243069 0.756931 0.737832 Pb\n0.071333 0.928667 0.248522 S\n0.928667 0.071333 0.748522 S\n0.354794 0.645206 0.413776 S\n0.635568 0.364432 0.573395 S\n0.364432 0.635568 0.073395 S\n0.645206 0.354794 0.913776 S\n",
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{
"id": "mp-1223358",
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"structure_string": "Mn26 As18 C1 O57\n1.0\n6.839961 -11.847160 0.000000\n6.839961 11.847160 0.000000\n0.000000 0.000000 9.001435\nMn As C O\n26 18 1 57\ndirect\n0.988245 0.748416 0.348977 Mn\n0.251584 0.239829 0.348977 Mn\n0.760171 0.011755 0.348977 Mn\n0.345051 0.918527 0.650160 Mn\n0.081473 0.426524 0.650160 Mn\n0.573476 0.654949 0.650160 Mn\n0.492128 0.494499 0.304127 Mn\n0.505501 0.997629 0.304127 Mn\n0.002371 0.507872 0.304127 Mn\n0.841054 0.172527 0.696546 Mn\n0.827473 0.668527 0.696546 Mn\n0.331473 0.158946 0.696546 Mn\n0.000000 0.000000 0.297523 Mn\n0.333333 0.666667 0.701180 Mn\n0.660218 0.577561 0.003129 Mn\n0.422439 0.082657 0.003129 Mn\n0.917343 0.339782 0.003129 Mn\n0.667706 0.087527 0.996497 Mn\n0.912473 0.580178 0.996497 Mn\n0.419822 0.332294 0.996497 Mn\n0.747021 0.743094 0.309226 Mn\n0.256906 0.003927 0.309226 Mn\n0.996073 0.252979 0.309226 Mn\n0.586358 0.923506 0.690282 Mn\n0.076494 0.662852 0.690282 Mn\n0.337148 0.413642 0.690282 Mn\n0.761560 0.523815 0.347543 As\n0.476185 0.237745 0.347543 As\n0.762255 0.238440 0.347543 As\n0.572222 0.143153 0.652659 As\n0.856847 0.429069 0.652659 As\n0.570931 0.427778 0.652659 As\n0.251373 0.502528 0.377308 As\n0.497472 0.748845 0.377308 As\n0.251155 0.748627 0.377308 As\n0.081402 0.163894 0.622421 As\n0.836106 0.917508 0.622421 As\n0.082492 0.918598 0.622421 As\n0.861811 0.817709 0.012248 As\n0.182291 0.044102 0.012248 As\n0.955898 0.138189 0.012248 As\n0.470848 0.844659 0.986789 As\n0.155341 0.626188 0.986789 As\n0.373812 0.529152 0.986789 As\n0.666667 0.333333 0.999820 C\n0.100275 0.420280 0.374186 O\n0.579720 0.679995 0.374186 O\n0.320005 0.899725 0.374186 O\n0.232363 0.245909 0.627132 O\n0.754091 0.986454 0.627132 O\n0.013546 0.767637 0.627132 O\n0.720683 0.753679 0.076328 O\n0.246321 0.967005 0.076328 O\n0.032995 0.279317 0.076328 O\n0.612251 0.912871 0.922746 O\n0.087129 0.699380 0.922746 O\n0.300620 0.387749 0.922746 O\n0.671691 0.555844 0.238783 O\n0.444156 0.115847 0.238783 O\n0.884153 0.328309 0.238783 O\n0.662609 0.111029 0.760356 O\n0.888971 0.551579 0.760356 O\n0.448421 0.337391 0.760356 O\n0.923249 0.828921 0.197040 O\n0.171079 0.094328 0.197040 O\n0.905672 0.076751 0.197040 O\n0.409644 0.836987 0.802561 O\n0.163013 0.572657 0.802561 O\n0.427343 0.590356 0.802561 O\n0.841272 0.681800 0.942068 O\n0.318200 0.159472 0.942068 O\n0.840528 0.158728 0.942068 O\n0.486629 0.976653 0.062217 O\n0.023347 0.509976 0.062217 O\n0.490024 0.513371 0.062217 O\n0.258677 0.500089 0.580233 O\n0.499911 0.758588 0.580233 O\n0.241412 0.741323 0.580233 O\n0.074533 0.166641 0.419484 O\n0.833359 0.907893 0.419484 O\n0.092107 0.925467 0.419484 O\n0.815334 0.653825 0.454910 O\n0.346175 0.161509 0.454910 O\n0.838491 0.184666 0.454910 O\n0.518602 0.013290 0.544927 O\n0.986710 0.505312 0.544927 O\n0.494688 0.481398 0.544927 O\n0.302408 0.410750 0.328638 O\n0.589250 0.891658 0.328638 O\n0.108342 0.697592 0.328638 O\n0.030277 0.255558 0.671757 O\n0.744442 0.774720 0.671757 O\n0.225280 0.969723 0.671757 O\n0.889159 0.579540 0.235903 O\n0.420460 0.309619 0.235903 O\n0.690381 0.110841 0.235903 O\n0.444167 0.086733 0.763188 O\n0.913267 0.357435 0.763188 O\n0.642565 0.555833 0.763188 O\n0.609496 0.386080 0.999858 O\n0.613920 0.223416 0.999858 O\n0.776584 0.390504 0.999858 O\n",
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{
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"structure_string": "Sr4 Mo20 O32\n1.0\n9.548277 0.000000 0.000000\n0.000000 8.409403 0.000000\n0.000000 3.653743 10.174020\nSr Mo O\n4 20 32\ndirect\n0.478011 0.716085 0.532096 Sr\n0.978011 0.283915 0.967904 Sr\n0.521989 0.283915 0.467904 Sr\n0.021989 0.716085 0.032096 Sr\n0.366685 0.589716 0.190823 Mo\n0.860737 0.792527 0.727474 Mo\n0.639263 0.792527 0.227474 Mo\n0.139263 0.207473 0.272526 Mo\n0.370143 0.805604 0.864932 Mo\n0.870143 0.194396 0.635068 Mo\n0.629857 0.194396 0.135068 Mo\n0.129857 0.805604 0.364932 Mo\n0.360737 0.207473 0.772526 Mo\n0.866685 0.410284 0.309177 Mo\n0.633315 0.410284 0.809177 Mo\n0.133315 0.589716 0.690823 Mo\n0.357033 0.395602 0.981344 Mo\n0.857033 0.604398 0.518656 Mo\n0.642967 0.604398 0.018656 Mo\n0.142967 0.395602 0.481344 Mo\n0.144569 0.992462 0.586864 Mo\n0.644569 0.007538 0.913136 Mo\n0.855431 0.007538 0.413136 Mo\n0.355431 0.992462 0.086864 Mo\n0.500908 0.589559 0.864220 O\n0.000908 0.410441 0.635780 O\n0.499092 0.410441 0.135780 O\n0.999092 0.589559 0.364220 O\n0.266746 0.374410 0.322713 O\n0.766746 0.625590 0.177287 O\n0.733254 0.625590 0.677287 O\n0.233254 0.374410 0.822713 O\n0.270636 0.788703 0.695431 O\n0.770636 0.211297 0.804569 O\n0.729364 0.211297 0.304569 O\n0.229364 0.788703 0.195431 O\n0.269520 0.194133 0.600205 O\n0.769520 0.805867 0.899795 O\n0.730480 0.805867 0.399795 O\n0.230480 0.194133 0.100205 O\n0.241735 0.603528 0.509920 O\n0.741735 0.396472 0.990080 O\n0.758265 0.396472 0.490080 O\n0.258265 0.603528 0.009920 O\n0.496320 0.023360 0.759454 O\n0.996320 0.976640 0.740546 O\n0.503680 0.976640 0.240546 O\n0.003680 0.023360 0.259454 O\n0.989756 0.609150 0.836736 O\n0.489756 0.390850 0.663264 O\n0.010244 0.390850 0.163264 O\n0.510244 0.609150 0.336736 O\n0.244137 0.002162 0.406422 O\n0.755863 0.997838 0.593578 O\n0.744137 0.997838 0.093578 O\n0.255863 0.002162 0.906422 O\n",
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"is_magnetic": true,
"total_magnetization": 13.9999985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.974000Z",
"spacegroup": 5
}
]
}